2-(4-methoxyphenyl)-3-oxidanyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]propanenitrile

Systemtic Name: 2-(4-methoxyphenyl)-3-oxidanyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]propanenitrile Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)propoxy]-3-hydroxy-2-(4-methoxyphenyl)propanenitrile CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-2-[3-[4-(phenylmethyl)-1-piperazinyl]propoxy]propanenitrile IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)propoxy]-3-hydroxy-2-(4-methoxyphenyl)propanenitrile Traditional Name: 2-[3-(4-benzylpiperazino)propoxy]-3-hydroxy-2-(4-methoxyphenyl)propionitrile Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CO)(C#N)OCCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(CO)(C#N)OCCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-29-23-10-8-22(9-11-23)24(19-25,20-28)30-17-5-12-26-13-15-27(16-14-26)18-21-6-3-2-4-7-21/h2-4,6-11,28H,5,12-18,20H2,1H3